AG0011XK

136507-15-8 | Benzaldehyde, 2-methoxy-4-nitro-

AG0011XK

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CAS Number	136507-15-8
Catalog Number	AG0011XK(AGN-PC-0KKNC8)
Chemical Name	Benzaldehyde, 2-methoxy-4-nitro-
IUPAC Name	2-methoxy-4-nitrobenzaldehyde
InChI	InChI=1S/C8H7NO4/c1-13-8-4-7(9(11)12)3-2-6(8)5-10/h2-5H,1H3
InChI Key	LEBUUZXTHMCZQZ-UHFFFAOYSA-N
MDL Number	MFCD02683052
Molecular Formula	C8H7NO4
Molecular Weight	181.1455
SMILES	COC1=C(C=O)C=CC(=C1)[N+]([O-])=O
Synonyms	2-Methoxy-4-nitrobenzaldehyde, 136507-15-8, 2-Methoxy-4-nitro-benzaldehyde, 2-Formyl-5-nitroanisole, Benzaldehyde, 2-methoxy-4-nitro-, 4-Nitro-2-methoxybenzaldehyde, PubChem14276, ACMC-20a4dx, AC1MC0S0, SCHEMBL286441, CTK4C0338, Benzaldehyde,2-methoxy-4-nitro-, DTXSID30374862, LEBUUZXTHMCZQZ-UHFFFAOYSA-N, 2-methoxy-4-nitrobenzaldehyde 97%, ZINC2583420, 6484AA, ANW-56611, CM-814, MFCD02683052, 2-Methoxy-4-nitrobenzaldehyde, 97%, AKOS015890787, AC-6641, AN-9813, FCH1122514, RP24227, RTX-012978, AJ-43220, AK-25394, AS-10422, CC-10787, SC-42153, AB0075837, AB1008098, AX8006222, DB-042343, A2930, FT-0643255, M2656, A-2048, 507M158, C-06800, I01-7790, J-509808, null, C8H7NO4, ZINC02583420, CID2759599,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.147g/mol
Monoisotopic Mass	181.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

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